Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2108375
Preview
| Coordinates | 2108375.cif |
|---|---|
| Structure factors | 2108375.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>L</i>-Leucinium hydrogen maleate |
|---|---|
| Formula | C10 H17 N O6 |
| Calculated formula | C10 H17 N O6 |
| SMILES | O=C(O)/C=C\C(=O)[O-].O=C(O)[C@@H]([NH3+])CC(C)C |
| Title of publication | A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures |
| Authors of publication | Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 2 |
| a | 21.5229 ± 0.0009 Å |
| b | 5.6692 ± 0.0002 Å |
| c | 32.0754 ± 0.0009 Å |
| α | 90° |
| β | 99.486 ± 0.004° |
| γ | 90° |
| Cell volume | 3860.2 ± 0.2 Å3 |
| Cell temperature | 225 ± 2 K |
| Ambient diffraction temperature | 225 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.1004 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.1092 |
| Weighted residual factors for all reflections included in the refinement | 0.1425 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214120 (current) | 2019-03-14 | cif/ hkl/ Adding structures of 2108370, 2108371, 2108372, 2108373, 2108374, 2108375, 2108376, 2108377, 2108378 via cif-deposit CGI script. |
2108375.cif 2108375.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.